ATOM 30
1 C1y C 17.5216 -18.5772
2 C1y C 18.6391 -17.8787
3 C1y C 16.2641 -17.8787
4 C1x C 17.5215 -19.9743
5 C1z C 18.6391 -16.4816
6 C1x C 21.1538 -17.8787
7 C1z C 15.0766 -18.5772
8 C1x C 16.2640 -16.4816
9 C2x C 16.2641 -20.6029
10 C1y C 19.8965 -15.7831
11 C1x C 17.4516 -15.7831
12 C1a C 18.5690 -15.1544
13 C1x C 21.1539 -16.4816
14 C2y C 15.0766 -19.9743
15 C1x C 13.8891 -17.8787
16 C1a C 15.0765 -17.3199
17 C1c C 19.8965 -14.4559
18 C1x C 13.8891 -20.6728
19 C1x C 12.7016 -18.5772
20 C1b C 21.0141 -13.7574
21 C1a C 18.7090 -13.7574
22 C1y C 12.7016 -19.9743
23 C1b C 22.2016 -14.4559
24 O1a O 11.5142 -20.6029
25 C1c C 23.3891 -13.7574
26 C1c C 24.5766 -14.4559
27 C1b C 22.2016 -13.0589
28 C1a C 25.7641 -13.7574
29 C1a C 24.5766 -15.9228
30 C1a C 22.2016 -11.7317
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1
15 7 16 1 #Up
16 10 17 1
17 14 18 1
18 15 19 1
19 17 20 1
20 17 21 1 #Down
21 18 22 1
22 20 23 1
23 22 24 1 #Up
24 23 25 1
25 25 26 1
26 25 27 1 #Up
27 26 28 1
28 26 29 1
29 27 30 1
30 8 11 1
31 9 14 2
32 10 13 1
33 19 22 1
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